Workflow

Complete Molecular Confidence™

Complementary Modalities

Complete Molecular Confidence incorporates Bruker’s complimentary analytical techniques, NMR for structure verification, MS for molecular formula determination. Analysis is based on data combined from both techniques which results in higher reliability and robustness in high throughput library screening of small molecules.
 

Structure to be verified
Structure to be verified

Routine Operation

Complete Molecular Confidence is a fully automated push-button solution. After initial bar code registration of the sample, all steps of the workflow are under the control of Bruker’s laboratory information management system SampleTrack™. It controls the parallel and synchronized acquisition of NMR and MS experiments, the on-line evaluation of the results, report generation and archiving.

LC-MS Mass
LC-MS Analysis
spectrum
The above figure shows the comparison of the measured 1H-NMR spectrum with the predicted and iterated spectrum of the given molecule.
HSQC spectrum
The above figure shows the HSQC NMR Spectrum of your sample. The areas drawn inside represent the NMR-prediction of your molecule (with error bar).